10-(2-butylcyclopentyl)decan-2-one

C19H36O — CID 71171350

IUPAC10-(2-butylcyclopentyl)decan-2-one
SMILESCCCCC1CCCC1CCCCCCCCC(C)=O
InChIInChI=1S/C19H36O/c1-3-4-13-18-15-11-16-19(18)14-10-8-6-5-7-9-12-17(2)20/h18-19H,3-16H2,1-2H3
InChIKeyAOWWYGXBXKAUTF-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.30
Rot. Bonds12

About 10-(2-butylcyclopentyl)decan-2-one

10-(2-butylcyclopentyl)decan-2-one (PubChem CID 71171350) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 10-(2-butylcyclopentyl)decan-2-one.

Molecular Properties

Compound Name10-(2-butylcyclopentyl)decan-2-one
PubChem CID71171350
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name10-(2-butylcyclopentyl)decan-2-one
SMILESCCCCC1CCCC1CCCCCCCCC(C)=O
InChIInChI=1S/C19H36O/c1-3-4-13-18-15-11-16-19(18)14-10-8-6-5-7-9-12-17(2)20/h18-19H,3-16H2,1-2H3
InChIKeyAOWWYGXBXKAUTF-UHFFFAOYSA-N
XLogP6.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-(2-butylcyclopentyl)decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725
9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
cyclohexane;heptan-2-one
CID 159731064
7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
CID 22788958

Frequently Asked Questions

What is the IUPAC name of 10-(2-butylcyclopentyl)decan-2-one?
The IUPAC name of 10-(2-butylcyclopentyl)decan-2-one (CID 71171350) is 10-(2-butylcyclopentyl)decan-2-one.
What is the SMILES notation for 10-(2-butylcyclopentyl)decan-2-one?
The canonical SMILES for 10-(2-butylcyclopentyl)decan-2-one is CCCCC1CCCC1CCCCCCCCC(C)=O.
What is the InChIKey of 10-(2-butylcyclopentyl)decan-2-one?
The InChIKey is AOWWYGXBXKAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-13-18-15-11-16-19(18)14-10-8-6-5-7-9-12-17(2)20/h18-19H,3-16H2,1-2H3.
What are the key properties of 10-(2-butylcyclopentyl)decan-2-one?
10-(2-butylcyclopentyl)decan-2-one has a molecular weight of 280.50 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-butylcyclopentyl)decan-2-one is sourced from PubChem (CID 71171350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).